EFIELD_ENERGY_TOL (.param)

Keyword type

Real

Description

This keyword controls the tolerance for accepting convergence of the field constants during a linear response to electric field calculation. This parameter has the units of volume.

The difference between maximum and minimum second order energies over EFIELD_CONVERGENCE_WIN iterations must be less than this value.

Default

1×10-5 Å

Example

EFIELD_ENERGY_TOL : 0.000002 ANG**3
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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